AB65682
3609-50-5 | 4-(1-Hydroxy-1-methylethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB65682
ChemicalName
4-(1-Hydroxy-1-methylethyl)benzoic acid
CasNumber
3609-50-5
MolecularFormula
C10H12O3
MolecularWeight
180.2005
MdlNumber
MFCD02185844
Smiles
OC(=O)c1ccc(cc1)C(O)(C)C
NscNumber
16263
Complexity
190
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.9
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CatalogNumber: AB65682
ChemicalName: 4-(1-Hydroxy-1-methylethyl)benzoic acid
CasNumber: 3609-50-5
MolecularFormula: C10H12O3
MolecularWeight: 180.2005
MdlNumber: MFCD02185844
Smiles: OC(=O)c1ccc(cc1)C(O)(C)C
NscNumber: 16263
Complexity: 190
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.9
CatalogNumber:
AB65682
ChemicalName:
4-(1-Hydroxy-1-methylethyl)benzoic acid
CasNumber:
3609-50-5
MolecularFormula:
C10H12O3
MolecularWeight:
180.2005
MdlNumber:
MFCD02185844
Smiles:
OC(=O)c1ccc(cc1)C(O)(C)C
NscNumber:
16263
Complexity:
190
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCOc1c(C)cc(cc1C)C=O
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCOc1c(C)cc(cc1C)C=O
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB65684
ChemicalName: 4-(2-Hydroxyethoxy)benzoic acid methyl ester
CasNumber: 3204-73-7
MolecularFormula: C10H12O4
MolecularWeight: 196.1999
MdlNumber: MFCD00075872
Smiles: OCCOc1ccc(cc1)C(=O)OC
NscNumber: __
Complexity: 173
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 1.6
CatalogNumber:
AB65684
ChemicalName:
4-(2-Hydroxyethoxy)benzoic acid methyl ester
CasNumber:
3204-73-7
MolecularFormula:
C10H12O4
MolecularWeight:
196.1999
MdlNumber:
MFCD00075872
Smiles:
OCCOc1ccc(cc1)C(=O)OC
NscNumber:
__
Complexity:
173
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCC1CCC(CC1)O
NscNumber: __
Complexity: 85.3
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCC1CCC(CC1)O
NscNumber:
__
Complexity:
85.3
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.7